X5D9H1_HUMAN Loading...

Glutathione S-transferase mu 1 isoform E

AlphaFold DB (H3BQT3), UniProt , Accession X5D9H1, Species HUMAN (Homo sapiens, Human), Gene GSTM1, Length 85 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M57.5Low79.6Confident234 Ų23487.6 Ų87.6100%1.15344%0.435SS*.  0108.30-156133.178.700106
2P70.9Confident79.8Confident59 Ų5984.8 Ų84.838%0.38345%0.445SS..PPolyproline II helixtrans-63.4141.9-172.926.1-32.5000109.6E29P2-E29 HydrophobicContact CB-CG 4.11Å; P2-E29 HydrophobicContact CG-CG 4.34Å; P2-E29 WeakPolarHBondContact CG-OE1 3.37Å
3M79.8Confident79.7Confident92 Ų9288.6 Ų88.645%0.45347%0.465SS..EExtended strand (participates in β ladder)trans-78.1125.8177.9-164.7160-58.600109.1S27 Y28 E29 Q63M3-S27 PolarHBondContact N-O 2.85Å; M3-Y28 CarbonylContact O-C 3.58Å; M3-Y28 WeakPolarHBondContact O-CA 3.35Å; M3-Y28 WeakPolarHBondContact O-CB 3.38Å; M3-E29 PolarHBondContact O-N 3.24Å; M3-Q63 HydrophobicContact SD-CG 4.08Å; M3-Q63 PolarHBondContact SD-NE2 3.12Å
4I83.8Confident80.1Confident94 Ų9482.4 Ų82.448%0.48243%0.432SS..EExtended strand (participates in β ladder)trans-94.1117.8-179.6-58.4171.3000109.3E29 K31I4-E29 CarbonylContact C-O 3.46Å; I4-E29 WeakPolarHBondContact CA-O 2.88Å; I4-E29 HydrophobicContact CG1-CB 4.46Å; I4-K31 HydrophobicContact CG2-CD 3.88Å; I4-K31 HydrophobicContact CG2-CG 3.95Å
5L84.6Confident80.5Confident23 Ų2381.7 Ų81.712%0.1243%0.426CS..EExtended strand (participates in β ladder)trans-98.3105.2171.8-17864.7000109I17 R18 L21 Y28 E29 K31L5-I17 HydrophobicContact CD1-CG2 3.88Å; L5-I17 HydrophobicContact CD2-CG2 4.27Å; L5-R18 HydrophobicContact CD2-CG 3.88Å; L5-L21 HydrophobicContact CD2-CD1 4.11Å; L5-Y28 HydrophobicContact CB-CD2 4.23Å; L5-Y28 HydrophobicContact CD2-CE2 4.38Å; L5-E29 PolarHBondContact N-O 2.94Å; L5-K31 PolarHBondContact O-N 3.34Å
6G87.8Confident80.9Confident26 Ų2681.1 Ų81.127%0.26844%0.436SS..EExtended strand (participates in β ladder)trans-98117.1174.200000111.3K31G6-K31 WeakPolarHBondContact CA-O 3.26Å
7Y85.3Confident81.3Confident22 Ų2278.8 Ų78.89%0.08642%0.423CS..EExtended strand (participates in β ladder)trans-147.9162.4174.9-159.9-114.1000111.8I10 L13 A14 K31 K32 Y33 V60Y7-I10 HydrophobicContact CD1-CG1 4.4Å; Y7-I10 HydrophobicContact CE1-CD1 4.38Å; Y7-I10 HydrophobicContact CE1-CG1 3.79Å; Y7-L13 HydrophobicContact CE2-CB 4.32Å; Y7-L13 PolarHBondContact OH-N 3.16Å; Y7-A14 HydrophobicContact CD1-CB 3.25Å; Y7-A14 HydrophobicContact CD2-CB 3.87Å; Y7-A14 HydrophobicContact CE1-CB 3.78Å; Y7-A14 HydrophobicContact CE2-CB 4.35Å; Y7-A14 HydrophobicContact CG-CB 3.31Å; Y7-K31 PolarHBondContact N-O 2.76Å; Y7-K32 WeakPolarHBondContact O-CA 3.3Å; Y7-Y33 PolarHBondContact O-N 2.89Å; Y7-V60 HydrophobicContact CD2-CG1 3.57Å; Y7-V60 VanDerWaalsContact CD2-O 3.26Å; Y7-V60 WeakPolarHBondContact CD2-O 3.39Å; Y7-V60 HydrophobicContact CE2-CG1 3.84Å; Y7-V60 VanDerWaalsContact CE2-O 3.25Å; Y7-V60 WeakPolarHBondContact CE2-O 3.42Å; Y7-V60 HydrophobicContact CG-CG1 4.47Å
8W83.4Confident81.5Confident36 Ų3676.6 Ų76.614%0.13641%0.408CS..EExtended strand (participates in β ladder)trans-61.8154.2170.9-64.7105.8000110.7I10 Y33 M35 R43 W46W8-I10 HydrophobicContact CB-CD1 4.03Å; W8-I10 HydrophobicContact CB-CG1 3.75Å; W8-I10 PolarHBondContact O-N 3.18Å; W8-Y33 CarbonylContact C-O 3.5Å; W8-Y33 VanDerWaalsContact CA-O 3.3Å; W8-Y33 WeakPolarHBondContact CA-O 3.37Å; W8-M35 HydrophobicContact CE3-CG 3.82Å; W8-M35 HydrophobicContact CH2-CG 4.26Å; W8-M35 HydrophobicContact CZ3-CG 3.57Å; W8-R43 HydrophobicContact CH2-CB 3.91Å; W8-R43 HydrophobicContact CH2-CG 3.71Å; W8-R43 HydrophobicContact CZ2-CG 4.37Å; W8-R43 HydrophobicContact CZ3-CG 4.38Å; W8-W46 HydrophobicContact CH2-CB 3.49Å; W8-W46 VanDerWaalsContact CH2-CB 3.49Å; W8-W46 HydrophobicContact CH2-CG 4.13Å; W8-W46 HydrophobicContact CZ2-CB 3.71Å; W8-W46 AromaticContact CZ2-CD1 3.83Å; W8-W46 AromaticContact CZ2-CG 3.81Å; W8-W46 HydrophobicContact CZ2-CG 3.81Å; W8-W46 HydrophobicContact CZ3-CB 4.36Å
9D80.8Confident81.9Confident92 Ų9277.9 Ų77.949%0.49242%0.415SS..SBendtrans-74.554.1175.1-164.127.2000112.6K32 Y33 T34D9-K32 HydrophobicContact CB-CB 4.45Å; D9-Y33 PolarHBondContact N-O 2.89Å; D9-T34 HydrophobicContact CB-CG2 4.24Å
10I82.4Confident82.2Confident100 Ų10079.2 Ų79.251%0.51342%0.421SS..SBendtrans-135.6153.8175.758.8178.4000107.8Y7 W8Y7-I10 HydrophobicContact CD1-CG1 4.4Å; Y7-I10 HydrophobicContact CE1-CD1 4.38Å; Y7-I10 HydrophobicContact CE1-CG1 3.79Å; W8-I10 HydrophobicContact CB-CD1 4.03Å; W8-I10 HydrophobicContact CB-CG1 3.75Å; W8-I10 PolarHBondContact O-N 3.18Å
11R79.1Confident82.5Confident186 Ų18675.7 Ų75.770%0.70240%0.402SS*.SBendtrans-63.6-50.6179.6-67.9-166.6176.2-176.60.3111.4H15R11-H15 HydrophobicContact CB-CB 4.31Å; R11-H15 WeakPolarHBondContact O-CB 3.33Å; R11-H15 PolarHBondContact O-N 3.06Å
12G81.9Confident83.9Confident53 Ų5370.1 Ų70.155%0.54637%0.373SS..THydrogen-bonded Turntrans36.8-140.9169.200000115.8
13L79.3Confident84.8Confident135 Ų13577 Ų7771%0.70739%0.393SS*.THydrogen-bonded Turntrans-76.9-21.9-179.9-65.1170.4000113.1Y7 H15Y7-L13 HydrophobicContact CE2-CB 4.32Å; Y7-L13 PolarHBondContact OH-N 3.16Å; L13-H15 VanDerWaalsContact C-N 3.28Å; L13-H15 PolarHBondContact O-N 3.27Å
14A84.9Confident85.3Confident1 Ų176 Ų761%0.00839%0.393CS..Hα-helixtrans-75.7-15.2179.800000113.4Y7 A16 I17 R18Y7-A14 HydrophobicContact CD1-CB 3.25Å; Y7-A14 HydrophobicContact CD2-CB 3.87Å; Y7-A14 HydrophobicContact CE1-CB 3.78Å; Y7-A14 HydrophobicContact CE2-CB 4.35Å; Y7-A14 HydrophobicContact CG-CB 3.31Å; A14-A16 PolarHBondContact O-N 3.39Å; A14-I17 PolarHBondContact O-N 3.06Å; A14-I17 VanDerWaalsContact O-N 3.12Å; A14-R18 WeakPolarHBondContact O-CG 3.38Å; A14-R18 PolarHBondContact O-N 2.91Å
15H85.8Confident85.4Confident73 Ų7378.8 Ų78.834%0.33841%0.408SS..Hα-helixtrans-60.8-46.1-177.8-166.448.6000112.8R11 L13 I17 R18 L19R11-H15 HydrophobicContact CB-CB 4.31Å; R11-H15 WeakPolarHBondContact O-CB 3.33Å; R11-H15 PolarHBondContact O-N 3.06Å; L13-H15 VanDerWaalsContact C-N 3.28Å; L13-H15 PolarHBondContact O-N 3.27Å; H15-I17 VanDerWaalsContact C-N 3.26Å; H15-I17 PolarHBondContact O-N 3.28Å; H15-R18 PolarHBondContact O-N 2.97Å; H15-L19 WeakPolarHBondContact O-CG 3.38Å; H15-L19 PolarHBondContact O-N 3.49Å; H15-L19 VanDerWaalsContact O-N 3.08Å
16A87Confident85.4Confident71 Ų7180.4 Ų80.459%0.58742%0.422SS*.Hα-helixtrans-64.6-32.6176.300000112.2A14 L20A14-A16 PolarHBondContact O-N 3.39Å; A16-L20 WeakPolarHBondContact O-CB 3.33Å; A16-L20 PolarHBondContact O-N 3.11Å
17I87Confident85.2Confident43 Ų4384 Ų8422%0.22144%0.442CS..Hα-helixtrans-71.1-44.7178.6-56.3174.9000110.4L5 A14 H15 L20 L21L5-I17 HydrophobicContact CD1-CG2 3.88Å; L5-I17 HydrophobicContact CD2-CG2 4.27Å; A14-I17 PolarHBondContact O-N 3.06Å; A14-I17 VanDerWaalsContact O-N 3.12Å; H15-I17 VanDerWaalsContact C-N 3.26Å; H15-I17 PolarHBondContact O-N 3.28Å; I17-L20 PolarHBondContact O-N 2.91Å; I17-L21 HydrophobicContact CG2-CD1 3.92Å; I17-L21 HydrophobicContact CG2-CG 4.36Å; I17-L21 WeakPolarHBondContact O-CB 3.35Å; I17-L21 VanDerWaalsContact O-CG 3.29Å; I17-L21 WeakPolarHBondContact O-CG 3.49Å; I17-L21 PolarHBondContact O-N 3.02Å
18R86.3Confident85.3Confident38 Ų3885.4 Ų85.414%0.14345%0.448CS..Hα-helixtrans-55.8-51.9173.5-70.6174.6-176.21623110.7L5 A14 H15 L20 L21 E22 E30L5-R18 HydrophobicContact CD2-CG 3.88Å; A14-R18 WeakPolarHBondContact O-CG 3.38Å; A14-R18 PolarHBondContact O-N 2.91Å; H15-R18 PolarHBondContact O-N 2.97Å; R18-L20 VanDerWaalsContact C-N 3.27Å; R18-L20 PolarHBondContact O-N 3.02Å; R18-L21 PolarHBondContact O-N 3.07Å; R18-L21 VanDerWaalsContact O-N 3.11Å; R18-E22 WeakPolarHBondContact O-CG 3.2Å; R18-E22 PolarHBondContact O-N 3.44Å; R18-E30 IonicContact CZ-OE1 2.97Å; R18-E30 IonicContact NE-OE1 2.62Å; R18-E30 PolarHBondContact NE-OE1 3.27Å; R18-E30 IonicContact NE-OE2 3.79Å; R18-E30 IonicContact NH2-OE1 2.64Å; R18-E30 PolarHBondContact NH2-OE1 3.11Å; R18-E30 IonicContact NH2-OE2 3.9Å
19L88.9Confident85.4Confident103 Ų10388.6 Ų88.654%0.53946%0.464SS..Hα-helixtrans-57.3-40.9179.3-72.1170.2000112.4H15 Y23H15-L19 WeakPolarHBondContact O-CG 3.38Å; H15-L19 PolarHBondContact O-N 3.49Å; H15-L19 VanDerWaalsContact O-N 3.08Å; L19-Y23 WeakPolarHBondContact O-CB 3.14Å; L19-Y23 PolarHBondContact O-N 3.27Å
20L87.9Confident85.5Confident103 Ų10387.2 Ų87.254%0.53946%0.455SS..Hα-helixtrans-69.1-39.2177.7-175.1137.4000112.3A16 I17 R18 Y23 T24A16-L20 WeakPolarHBondContact O-CB 3.33Å; A16-L20 PolarHBondContact O-N 3.11Å; I17-L20 PolarHBondContact O-N 2.91Å; R18-L20 VanDerWaalsContact C-N 3.27Å; R18-L20 PolarHBondContact O-N 3.02Å; L20-Y23 PolarHBondContact O-N 3.38Å; L20-T24 WeakPolarHBondContact O-CG2 3.46Å; L20-T24 PolarHBondContact O-N 2.98Å; L20-T24 PolarHBondContact O-OG1 2.62Å
21L87.1Confident85.7Confident6 Ų686.3 Ų86.33%0.03145%0.447CS..Hα-helixtrans-65.6-44.9177.2-71.8168.8000111.5L5 I17 R18 Y23 T24 D25 S26 Y28L5-L21 HydrophobicContact CD2-CD1 4.11Å; I17-L21 HydrophobicContact CG2-CD1 3.92Å; I17-L21 HydrophobicContact CG2-CG 4.36Å; I17-L21 WeakPolarHBondContact O-CB 3.35Å; I17-L21 VanDerWaalsContact O-CG 3.29Å; I17-L21 WeakPolarHBondContact O-CG 3.49Å; I17-L21 PolarHBondContact O-N 3.02Å; R18-L21 PolarHBondContact O-N 3.07Å; R18-L21 VanDerWaalsContact O-N 3.11Å; L21-Y23 PolarHBondContact O-N 3.44Å; L21-T24 PolarHBondContact O-N 2.62Å; L21-T24 PolarHBondContact O-OG1 3.18Å; L21-T24 VanDerWaalsContact O-OG1 3.11Å; L21-D25 PolarHBondContact O-N 3.12Å; L21-D25 VanDerWaalsContact O-N 3.16Å; L21-S26 PolarHBondContact O-N 3.31Å; L21-Y28 HydrophobicContact CB-CD1 3.67Å; L21-Y28 HydrophobicContact CB-CE1 3.6Å; L21-Y28 HydrophobicContact CB-CG 4.36Å; L21-Y28 HydrophobicContact CD1-CD1 3.98Å; L21-Y28 HydrophobicContact CD1-CD2 3.89Å; L21-Y28 HydrophobicContact CD1-CE1 4.28Å; L21-Y28 HydrophobicContact CD1-CE2 4.16Å; L21-Y28 HydrophobicContact CD1-CG 3.8Å; L21-Y28 HydrophobicContact CG-CD1 4.27Å
22E88.3Confident86Confident116 Ų11682.2 Ų82.254%0.54244%0.435SS..Hα-helixtrans-60.1-43.2173.2-65.6-58.5145.300111.7R18 T24 D25 Y28R18-E22 WeakPolarHBondContact O-CG 3.2Å; R18-E22 PolarHBondContact O-N 3.44Å; E22-T24 VanDerWaalsContact C-N 3.28Å; E22-T24 PolarHBondContact O-N 3.39Å; E22-D25 PolarHBondContact O-N 3.08Å; E22-Y28 WeakPolarHBondContact OE1-CE1 3.29Å; E22-Y28 PolarHBondContact OE1-OH 2.83Å
23Y89.8Confident86Confident204 Ų20480 Ų8080%0.841%0.409SS*.Hα-helixtrans-63.6-33.9178.7178.8-102.6000113.2L19 L20 L21 D25L19-Y23 WeakPolarHBondContact O-CB 3.14Å; L19-Y23 PolarHBondContact O-N 3.27Å; L20-Y23 PolarHBondContact O-N 3.38Å; L21-Y23 PolarHBondContact O-N 3.44Å; Y23-D25 VanDerWaalsContact C-N 3.32Å
24T90.4Very high86.1Confident72 Ų7277.3 Ų77.344%0.44240%0.399SS..THydrogen-bonded Turntrans-89.82.9179.759.30000113.6L20 L21 E22 S26L20-T24 WeakPolarHBondContact O-CG2 3.46Å; L20-T24 PolarHBondContact O-N 2.98Å; L20-T24 PolarHBondContact O-OG1 2.62Å; L21-T24 PolarHBondContact O-N 2.62Å; L21-T24 PolarHBondContact O-OG1 3.18Å; L21-T24 VanDerWaalsContact O-OG1 3.11Å; E22-T24 VanDerWaalsContact C-N 3.28Å; E22-T24 PolarHBondContact O-N 3.39Å; T24-S26 PolarHBondContact O-N 2.64Å; T24-S26 PolarHBondContact OG1-OG 2.88Å
25D85.8Confident85.7Confident152 Ų15281.4 Ų81.481%0.81342%0.419SS*.THydrogen-bonded Turntrans47.835.7-177.7-1446.2000112.8L21 E22 Y23L21-D25 PolarHBondContact O-N 3.12Å; L21-D25 VanDerWaalsContact O-N 3.16Å; E22-D25 PolarHBondContact O-N 3.08Å; Y23-D25 VanDerWaalsContact C-N 3.32Å
26S84.6Confident85.5Confident57 Ų5779.3 Ų79.340%0.39942%0.417SS..  trans-80.1134.8-176.6-70.70000109.9L21 T24 Y28L21-S26 PolarHBondContact O-N 3.31Å; T24-S26 PolarHBondContact O-N 2.64Å; T24-S26 PolarHBondContact OG1-OG 2.88Å; S26-Y28 WeakPolarHBondContact O-CD1 3.45Å; S26-Y28 PolarHBondContact O-N 2.99Å
27S83.4Confident85Confident100 Ų10083.1 Ų83.170%0.69943%0.428SS*.  trans-70.9111.3172.748.80000111.3M3M3-S27 PolarHBondContact N-O 2.85Å
28Y86.3Confident84.4Confident52 Ų5284.3 Ų84.320%0.20444%0.444CS..EExtended strand (participates in β ladder)trans-132.5151.1177.176.1-84.2000111.6M3 L5 L21 E22 S26 E30M3-Y28 CarbonylContact O-C 3.58Å; M3-Y28 WeakPolarHBondContact O-CA 3.35Å; M3-Y28 WeakPolarHBondContact O-CB 3.38Å; L5-Y28 HydrophobicContact CB-CD2 4.23Å; L5-Y28 HydrophobicContact CD2-CE2 4.38Å; L21-Y28 HydrophobicContact CB-CD1 3.67Å; L21-Y28 HydrophobicContact CB-CE1 3.6Å; L21-Y28 HydrophobicContact CB-CG 4.36Å; L21-Y28 HydrophobicContact CD1-CD1 3.98Å; L21-Y28 HydrophobicContact CD1-CD2 3.89Å; L21-Y28 HydrophobicContact CD1-CE1 4.28Å; L21-Y28 HydrophobicContact CD1-CE2 4.16Å; L21-Y28 HydrophobicContact CD1-CG 3.8Å; L21-Y28 HydrophobicContact CG-CD1 4.27Å; E22-Y28 WeakPolarHBondContact OE1-CE1 3.29Å; E22-Y28 PolarHBondContact OE1-OH 2.83Å; S26-Y28 WeakPolarHBondContact O-CD1 3.45Å; S26-Y28 PolarHBondContact O-N 2.99Å; Y28-E30 HydrophobicContact CE2-CB 4.33Å
29E86.1Confident84.1Confident103 Ų10387.8 Ų87.848%0.48147%0.471SS..EExtended strand (participates in β ladder)trans-107133.7172.1-74.4177-169.300109P2 M3 I4 L5P2-E29 HydrophobicContact CB-CG 4.11Å; P2-E29 HydrophobicContact CG-CG 4.34Å; P2-E29 WeakPolarHBondContact CG-OE1 3.37Å; M3-E29 PolarHBondContact O-N 3.24Å; I4-E29 CarbonylContact C-O 3.46Å; I4-E29 WeakPolarHBondContact CA-O 2.88Å; I4-E29 HydrophobicContact CG1-CB 4.46Å; L5-E29 PolarHBondContact N-O 2.94Å
30E83.8Confident83.5Confident63 Ų6389.8 Ų89.829%0.29448%0.483SS..EExtended strand (participates in β ladder)trans-101.6123.9179.2-173.3165.9-139.600111.7R18 Y28 K32R18-E30 IonicContact CZ-OE1 2.97Å; R18-E30 IonicContact NE-OE1 2.62Å; R18-E30 PolarHBondContact NE-OE1 3.27Å; R18-E30 IonicContact NE-OE2 3.79Å; R18-E30 IonicContact NH2-OE1 2.64Å; R18-E30 PolarHBondContact NH2-OE1 3.11Å; R18-E30 IonicContact NH2-OE2 3.9Å; Y28-E30 HydrophobicContact CE2-CB 4.33Å; E30-K32 VanDerWaalsContact CD-CE 3.48Å; E30-K32 HydrophobicContact CG-CG 3.92Å; E30-K32 WeakPolarHBondContact OE2-CE 3.37Å; E30-K32 IonicContact OE2-NZ 3.71Å
31K86.4Confident82.7Confident81 Ų8191.2 Ų91.235%0.35248%0.482SS..EExtended strand (participates in β ladder)trans-105.7106.4169.8-71-170.1175.7-167.50109.4I4 L5 G6 Y7I4-K31 HydrophobicContact CG2-CD 3.88Å; I4-K31 HydrophobicContact CG2-CG 3.95Å; L5-K31 PolarHBondContact O-N 3.34Å; G6-K31 WeakPolarHBondContact CA-O 3.26Å; Y7-K31 PolarHBondContact N-O 2.76Å
32K84.9Confident82.3Confident101 Ų10195.1 Ų95.144%0.43950%0.503SS..EExtended strand (participates in β ladder)trans-90.9122.2176.9-60.8-177.1-177.91790109.9Y7 D9 E30Y7-K32 WeakPolarHBondContact O-CA 3.3Å; D9-K32 HydrophobicContact CB-CB 4.45Å; E30-K32 VanDerWaalsContact CD-CE 3.48Å; E30-K32 HydrophobicContact CG-CG 3.92Å; E30-K32 WeakPolarHBondContact OE2-CE 3.37Å; E30-K32 IonicContact OE2-NZ 3.71Å
33Y82.2Confident81.7Confident5 Ų596.6 Ų96.62%0.0250%0.503CS..EExtended strand (participates in β ladder)trans-92.9119.8171.8-60.5-73.2000108.8Y7 W8 D9 Q45 W46 E49Y7-Y33 PolarHBondContact O-N 2.89Å; W8-Y33 CarbonylContact C-O 3.5Å; W8-Y33 VanDerWaalsContact CA-O 3.3Å; W8-Y33 WeakPolarHBondContact CA-O 3.37Å; D9-Y33 PolarHBondContact N-O 2.89Å; Y33-Q45 HydrophobicContact CD1-CB 4.48Å; Y33-Q45 HydrophobicContact CD1-CG 3.94Å; Y33-Q45 HydrophobicContact CE1-CG 4.5Å; Y33-W46 HydrophobicContact CD1-CE3 4.45Å; Y33-W46 AromaticContact CD2-CE3 3.87Å; Y33-W46 HydrophobicContact CD2-CE3 3.87Å; Y33-W46 HydrophobicContact CD2-CZ3 4.35Å; Y33-W46 HydrophobicContact CE1-CE3 4.14Å; Y33-W46 AromaticContact CE2-CE3 3.49Å; Y33-W46 HydrophobicContact CE2-CE3 3.49Å; Y33-W46 VanDerWaalsContact CE2-CE3 3.49Å; Y33-W46 AromaticContact CE2-CZ3 3.64Å; Y33-W46 HydrophobicContact CE2-CZ3 3.64Å; Y33-W46 HydrophobicContact CG-CE3 4.34Å; Y33-W46 AromaticContact CZ-CE3 3.65Å; Y33-W46 AromaticContact CZ-CZ3 3.91Å; Y33-E49 VanDerWaalsContact CE1-OE2 3.24Å; Y33-E49 WeakPolarHBondContact CE1-OE2 3.25Å; Y33-E49 PolarHBondContact OH-OE2 3.06Å
34T80.6Confident81.3Confident79 Ų7988.9 Ų88.949%0.48548%0.479SS..PPolyproline II helixtrans-90.4136174.247.70000108.6D9 Q45D9-T34 HydrophobicContact CB-CG2 4.24Å; T34-Q45 VanDerWaalsContact N-OE1 3.13Å; T34-Q45 PolarHBondContact O-OE1 2.86Å; T34-Q45 PolarHBondContact OG1-OE1 2.84Å
35M77.5Confident80.7Confident87 Ų8789.2 Ų89.243%0.42948%0.476SS..PPolyproline II helixtrans-78.5141.9166.1-93.2-170.937.500109.3W8 Y41 R43W8-M35 HydrophobicContact CE3-CG 3.82Å; W8-M35 HydrophobicContact CH2-CG 4.26Å; W8-M35 HydrophobicContact CZ3-CG 3.57Å; M35-Y41 HydrophobicContact CE-CD1 3.1Å; M35-Y41 HydrophobicContact CE-CE1 3.95Å; M35-Y41 HydrophobicContact CE-CG 3.59Å; M35-R43 HydrophobicContact CG-CG 4.15Å; M35-R43 HydrophobicContact SD-CG 4.31Å
36G80.9Confident80.2Confident29 Ų2983 Ų8330%0.29944%0.441SS..PPolyproline II helixtrans-61.8160.6172.800000112.4D42G36-D42 PolarHBondContact N-O 3.2Å
37D76.4Confident79.9Confident151 Ų15184.4 Ų84.481%0.80744%0.444SS*.PPolyproline II helixtrans-63.3158.3179-71.7-39.2000112.4Y41D37-Y41 PolarHBondContact O-N 2.87Å
38A74Confident79.7Confident68 Ų6884.7 Ų84.756%0.56244%0.437SS*.THydrogen-bonded Turntrans-64.5145.4173.100000110.4Y41A38-Y41 HydrophobicContact CB-CE1 4.47Å; A38-Y41 HydrophobicContact CB-CE2 4.49Å
39P80.3Confident79.1Confident111 Ų11185.2 Ų85.272%0.72144%0.441SS*.THydrogen-bonded Turncis-94.7-12.212.234.9-34.9000115.8Y41P39-Y41 WeakPolarHBondContact O-CD2 3.24Å
40D76.4Confident78.3Confident145 Ų14582.7 Ų82.778%0.77543%0.429SS*.THydrogen-bonded Turntrans-85.5-16.8-167.2-73-36000114.1D42D40-D42 VanDerWaalsContact C-N 3.33Å; D40-D42 PolarHBondContact O-N 3.09Å
41Y71.5Confident77.7Confident134 Ų13487.2 Ų87.253%0.52545%0.448SS..  trans46.954.1172.7-74.4-60.8000112.6M35 D37 A38 P39 R43M35-Y41 HydrophobicContact CE-CD1 3.1Å; M35-Y41 HydrophobicContact CE-CE1 3.95Å; M35-Y41 HydrophobicContact CE-CG 3.59Å; D37-Y41 PolarHBondContact O-N 2.87Å; A38-Y41 HydrophobicContact CB-CE1 4.47Å; A38-Y41 HydrophobicContact CB-CE2 4.49Å; P39-Y41 WeakPolarHBondContact O-CD2 3.24Å; Y41-R43 PolarHBondContact O-N 3.16Å
42D78.2Confident77.2Confident87 Ų8791.8 Ų91.847%0.46547%0.468SS..  trans-62.6131.7-171.2-17219.3000111.6G36 D40 S44G36-D42 PolarHBondContact N-O 3.2Å; D40-D42 VanDerWaalsContact C-N 3.33Å; D40-D42 PolarHBondContact O-N 3.09Å; D42-S44 VanDerWaalsContact CG-OG 3.26Å; D42-S44 WeakPolarHBondContact OD1-CB 3.43Å; D42-S44 PolarHBondContact OD1-N 3.12Å; D42-S44 PolarHBondContact OD1-OG 3.43Å; D42-S44 VanDerWaalsContact OD2-CB 3.31Å; D42-S44 WeakPolarHBondContact OD2-CB 3.48Å; D42-S44 PolarHBondContact OD2-OG 3.15Å
43R77.3Confident76.6Confident147 Ų14790.8 Ų90.856%0.55547%0.467SS*.  trans-117.611179.5-67.7176.7-68.5173.9-0.5111.6W8 M35 Y41 Q45 W46 L47W8-R43 HydrophobicContact CH2-CB 3.91Å; W8-R43 HydrophobicContact CH2-CG 3.71Å; W8-R43 HydrophobicContact CZ2-CG 4.37Å; W8-R43 HydrophobicContact CZ3-CG 4.38Å; M35-R43 HydrophobicContact CG-CG 4.15Å; M35-R43 HydrophobicContact SD-CG 4.31Å; Y41-R43 PolarHBondContact O-N 3.16Å; R43-Q45 PolarHBondContact O-N 3.32Å; R43-W46 PolarHBondContact O-N 3.07Å; R43-W46 VanDerWaalsContact O-N 3.07Å; R43-L47 PolarHBondContact O-N 3Å
44S79.8Confident76.1Confident43 Ų4393 Ų9330%0.30149%0.491SS..Hα-helixtrans-51.8-39.3-179.764.40000112.5D42 W46 L47 N48D42-S44 VanDerWaalsContact CG-OG 3.26Å; D42-S44 WeakPolarHBondContact OD1-CB 3.43Å; D42-S44 PolarHBondContact OD1-N 3.12Å; D42-S44 PolarHBondContact OD1-OG 3.43Å; D42-S44 VanDerWaalsContact OD2-CB 3.31Å; D42-S44 WeakPolarHBondContact OD2-CB 3.48Å; D42-S44 PolarHBondContact OD2-OG 3.15Å; S44-W46 VanDerWaalsContact C-N 3.31Å; S44-W46 PolarHBondContact O-N 2.61Å; S44-L47 PolarHBondContact O-N 3.49Å; S44-N48 VanDerWaalsContact O-CB 3.29Å; S44-N48 WeakPolarHBondContact O-CB 3.08Å; S44-N48 PolarHBondContact O-N 2.87Å; S44-N48 PolarHBondContact O-ND2 3.22Å; S44-N48 VanDerWaalsContact O-ND2 3.12Å
45Q77.8Confident75.8Confident79 Ų7991.7 Ų91.737%0.36948%0.481SS..Hα-helixtrans-55.7-44.6178-163.5-171.56.300112Y33 T34 R43Y33-Q45 HydrophobicContact CD1-CB 4.48Å; Y33-Q45 HydrophobicContact CD1-CG 3.94Å; Y33-Q45 HydrophobicContact CE1-CG 4.5Å; T34-Q45 VanDerWaalsContact N-OE1 3.13Å; T34-Q45 PolarHBondContact O-OE1 2.86Å; T34-Q45 PolarHBondContact OG1-OE1 2.84Å; R43-Q45 PolarHBondContact O-N 3.32Å
46W77Confident75.5Confident22 Ų2294.4 Ų94.48%0.08350%0.497CS..Hα-helixtrans-73.5-46176.5172.5-118.4000111.9W8 Y33 R43 S44 N48 E49 K50 L53 V60W8-W46 HydrophobicContact CH2-CB 3.49Å; W8-W46 VanDerWaalsContact CH2-CB 3.49Å; W8-W46 HydrophobicContact CH2-CG 4.13Å; W8-W46 HydrophobicContact CZ2-CB 3.71Å; W8-W46 AromaticContact CZ2-CD1 3.83Å; W8-W46 AromaticContact CZ2-CG 3.81Å; W8-W46 HydrophobicContact CZ2-CG 3.81Å; W8-W46 HydrophobicContact CZ3-CB 4.36Å; Y33-W46 HydrophobicContact CD1-CE3 4.45Å; Y33-W46 AromaticContact CD2-CE3 3.87Å; Y33-W46 HydrophobicContact CD2-CE3 3.87Å; Y33-W46 HydrophobicContact CD2-CZ3 4.35Å; Y33-W46 HydrophobicContact CE1-CE3 4.14Å; Y33-W46 AromaticContact CE2-CE3 3.49Å; Y33-W46 HydrophobicContact CE2-CE3 3.49Å; Y33-W46 VanDerWaalsContact CE2-CE3 3.49Å; Y33-W46 AromaticContact CE2-CZ3 3.64Å; Y33-W46 HydrophobicContact CE2-CZ3 3.64Å; Y33-W46 HydrophobicContact CG-CE3 4.34Å; Y33-W46 AromaticContact CZ-CE3 3.65Å; Y33-W46 AromaticContact CZ-CZ3 3.91Å; R43-W46 PolarHBondContact O-N 3.07Å; R43-W46 VanDerWaalsContact O-N 3.07Å; S44-W46 VanDerWaalsContact C-N 3.31Å; S44-W46 PolarHBondContact O-N 2.61Å; W46-N48 VanDerWaalsContact C-N 3.29Å; W46-N48 PolarHBondContact O-N 2.96Å; W46-E49 PolarHBondContact O-N 3.09Å; W46-K50 HydrophobicContact CZ2-CG 4.21Å; W46-K50 VanDerWaalsContact O-CB 3.29Å; W46-K50 WeakPolarHBondContact O-CB 3.31Å; W46-K50 PolarHBondContact O-N 3.41Å; W46-L53 HydrophobicContact CZ3-CD1 4.27Å; W46-V60 HydrophobicContact CD2-CG2 4.04Å; W46-V60 HydrophobicContact CH2-CG2 4.05Å; W46-V60 HydrophobicContact CZ2-CB 4.38Å; W46-V60 HydrophobicContact CZ2-CG2 3.36Å
47L77.1Confident74.6Confident86 Ų86101.4 Ų101.445%0.4552%0.52SS..Hα-helixtrans-62.5-34.7-175.9-70.5172.8000113R43 S44 K50R43-L47 PolarHBondContact O-N 3Å; S44-L47 PolarHBondContact O-N 3.49Å; L47-K50 HydrophobicContact CD2-CD 4.43Å
48N78.6Confident73.7Confident106 Ų10696.5 Ų96.557%0.56750%0.496SS*.Hα-helixtrans-72.2-30179.8-72.3-27000113.4S44 W46 K52S44-N48 VanDerWaalsContact O-CB 3.29Å; S44-N48 WeakPolarHBondContact O-CB 3.08Å; S44-N48 PolarHBondContact O-N 2.87Å; S44-N48 PolarHBondContact O-ND2 3.22Å; S44-N48 VanDerWaalsContact O-ND2 3.12Å; W46-N48 VanDerWaalsContact C-N 3.29Å; W46-N48 PolarHBondContact O-N 2.96Å; N48-K52 WeakPolarHBondContact O-CE 3.21Å
49E74.6Confident72.6Confident62 Ų6299.1 Ų99.129%0.2950%0.501SS..Hα-helixtrans-92-26.4177.9-67.7-166.8168.300112.9Y33 W46 F51 K52 L53Y33-E49 VanDerWaalsContact CE1-OE2 3.24Å; Y33-E49 WeakPolarHBondContact CE1-OE2 3.25Å; Y33-E49 PolarHBondContact OH-OE2 3.06Å; W46-E49 PolarHBondContact O-N 3.09Å; E49-F51 VanDerWaalsContact C-N 3.26Å; E49-F51 PolarHBondContact O-N 3.39Å; E49-F51 VanDerWaalsContact O-N 3.09Å; E49-K52 PolarHBondContact O-N 3.48Å; E49-L53 WeakPolarHBondContact O-CG 3.29Å; E49-L53 PolarHBondContact O-N 3.28Å
50K70.1Confident71.5Confident51 Ų5195 Ų9522%0.22247%0.473CS..Hα-helixtrans-47-44.4-175.2-176178.5-178.2-177.60113.9W46 L47 P58W46-K50 HydrophobicContact CZ2-CG 4.21Å; W46-K50 VanDerWaalsContact O-CB 3.29Å; W46-K50 WeakPolarHBondContact O-CB 3.31Å; W46-K50 PolarHBondContact O-N 3.41Å; L47-K50 HydrophobicContact CD2-CD 4.43Å; K50-P58 HydrophobicContact CD-CB 4.2Å; K50-P58 VanDerWaalsContact CE-CB 3.47Å; K50-P58 WeakPolarHBondContact CE-O 3.29Å; K50-P58 HydrophobicContact CG-CB 3.61Å; K50-P58 HydrophobicContact CG-CG 4.46Å
51F70Confident70.1Confident157 Ų15790 Ų9069%0.68946%0.456SS*.THydrogen-bonded Turntrans-87.9-14.9-175.9-60.4-75000113.8E49E49-F51 VanDerWaalsContact C-N 3.26Å; E49-F51 PolarHBondContact O-N 3.39Å; E49-F51 VanDerWaalsContact O-N 3.09Å
52K76.7Confident68.6Low178 Ų17894.5 Ų94.577%0.77447%0.472SS*.THydrogen-bonded Turntrans-84.4-17.8-179.8-61.4179.6-177.41750112.6N48 E49 G54N48-K52 WeakPolarHBondContact O-CE 3.21Å; E49-K52 PolarHBondContact O-N 3.48Å; K52-G54 VanDerWaalsContact C-N 3.3Å; K52-G54 PolarHBondContact O-N 3.25Å
53L72.3Confident66.9Low79 Ų7994.7 Ų94.741%0.41447%0.47SS..THydrogen-bonded Turntrans-79.1-5.7-174.8-69.3165.1000114.4W46 E49 L55W46-L53 HydrophobicContact CZ3-CD1 4.27Å; E49-L53 WeakPolarHBondContact O-CG 3.29Å; E49-L53 PolarHBondContact O-N 3.28Å; L53-L55 HydrophobicContact CB-CD1 3.72Å; L53-L55 HydrophobicContact CB-CG 4.04Å; L53-L55 HydrophobicContact CD1-CD1 4.08Å; L53-L55 PolarHBondContact O-N 3.34Å
54G72Confident65.1Low51 Ų5195 Ų9553%0.52648%0.476SS..  trans56.738.517800000113.1K52 K64K52-G54 VanDerWaalsContact C-N 3.3Å; K52-G54 PolarHBondContact O-N 3.25Å; G54-K64 PolarHBondContact O-NZ 3.23Å
55L72.5Confident63Low53 Ų53104.1 Ų104.128%0.27750%0.503SS..  trans-86.7123.5176.7-71.5156.4000108.7L53 F57L53-L55 HydrophobicContact CB-CD1 3.72Å; L53-L55 HydrophobicContact CB-CG 4.04Å; L53-L55 HydrophobicContact CD1-CD1 4.08Å; L53-L55 PolarHBondContact O-N 3.34Å; L55-F57 PolarHBondContact O-N 2.91Å; L55-F57 VanDerWaalsContact O-N 3.16Å
56D72.4Confident61.1Low144 Ų144111.3 Ų111.377%0.7753%0.527SS*.SBendtrans-58.4-28.9176.4-59.2-40.3000111.9
57F61.4Low59.1Low176 Ų176121.1 Ų121.177%0.77256%0.564SS**SBendtrans-132.7101.6171.5-63.2-78.3000109.4L55 N59L55-F57 PolarHBondContact O-N 2.91Å; L55-F57 VanDerWaalsContact O-N 3.16Å; F57-N59 PolarHBondContact O-N 2.58Å
58P57.5Low56.9Low48 Ų48125.7 Ų125.731%0.31258%0.581SS.*  trans-78.187-176.431.3-35000110.6K50K50-P58 HydrophobicContact CD-CB 4.2Å; K50-P58 VanDerWaalsContact CE-CB 3.47Å; K50-P58 WeakPolarHBondContact CE-O 3.29Å; K50-P58 HydrophobicContact CG-CB 3.61Å; K50-P58 HydrophobicContact CG-CG 4.46Å
59N51.6Low54.8Low123 Ų123125.3 Ų125.366%0.65858%0.582SS**  trans-133.6147.8176-168.328.9000111F57 G61F57-N59 PolarHBondContact O-N 2.58Å; N59-G61 PolarHBondContact O-N 3.31Å
60V56.2Low52.6Low23 Ų23132.1 Ų132.114%0.13961%0.605CS.*THydrogen-bonded Turntrans-76.736.4-167.1-174.10000113.3Y7 W46Y7-V60 HydrophobicContact CD2-CG1 3.57Å; Y7-V60 VanDerWaalsContact CD2-O 3.26Å; Y7-V60 WeakPolarHBondContact CD2-O 3.39Å; Y7-V60 HydrophobicContact CE2-CG1 3.84Å; Y7-V60 VanDerWaalsContact CE2-O 3.25Å; Y7-V60 WeakPolarHBondContact CE2-O 3.42Å; Y7-V60 HydrophobicContact CG-CG1 4.47Å; W46-V60 HydrophobicContact CD2-CG2 4.04Å; W46-V60 HydrophobicContact CH2-CG2 4.05Å; W46-V60 HydrophobicContact CZ2-CB 4.38Å; W46-V60 HydrophobicContact CZ2-CG2 3.36Å
61G47.7Very low51.2Low41 Ų41135.9 Ų135.942%0.42363%0.633SS.*THydrogen-bonded Turntrans-166.726.7-170.200000117.9N59N59-G61 PolarHBondContact O-N 3.31Å
62R40.3Very low49.5Very low228 Ų228135.3 Ų135.386%0.8663%0.63SS**  trans-134.3119.1172.9-85.1-167.9172.1139.6-0.9114.1
63Q41.9Very low47.5Very low92 Ų92137.1 Ų137.143%0.4363%0.632SS.*  trans-63.9125.6165.2-167.8157-15.700109.7M3 R65M3-Q63 HydrophobicContact SD-CG 4.08Å; M3-Q63 PolarHBondContact SD-NE2 3.12Å; Q63-R65 PolarHBondContact O-N 2.9Å
64K40.6Very low45.6Very low153 Ų153144.9 Ų144.967%0.66566%0.656SS**  trans-71.179.8176.1-160.1172.2-171.4168.30108.8G54 R66G54-K64 PolarHBondContact O-NZ 3.23Å; K64-R66 PolarHBondContact O-N 2.93Å; K64-R66 VanDerWaalsContact O-N 3.15Å
65R33.9Very low44.1Very low234 Ų234148 Ų14888%0.88367%0.665SS**  trans-68.7109.3166.8-119.4-173.3174.8178.2-0.4107Q63 R67Q63-R65 PolarHBondContact O-N 2.9Å; R65-R67 PolarHBondContact O-N 3.06Å
66R39.4Very low42.8Very low230 Ų230156 Ų15687%0.86869%0.692SS**  trans-47126.2168.6-75.3174.183163.63.4107.5K64 F68K64-R66 PolarHBondContact O-N 2.93Å; K64-R66 VanDerWaalsContact O-N 3.15Å; R66-F68 PolarHBondContact O-N 3.25Å
67R33.8Very low41.2Very low229 Ų229154.8 Ų154.886%0.86469%0.692SS**  trans-53.3100.9175.5-176.6178.2-76.8-125.10.5108.5R65 V69R65-R67 PolarHBondContact O-N 3.06Å; R67-V69 HydrophobicContact CG-CG2 4.26Å; R67-V69 PolarHBondContact O-N 3.32Å; R67-V69 VanDerWaalsContact O-N 3.12Å
68F31.6Very low39.8Very low182 Ų182156.9 Ų156.980%0.79870%0.695SS**  trans-72.599.9168.6-130.1-92.6000105.7R66 W70R66-F68 PolarHBondContact O-N 3.25Å; F68-W70 PolarHBondContact O-N 3.16Å; F68-W70 VanDerWaalsContact O-N 3.16Å
69V35Very low38.9Very low98 Ų98160.8 Ų160.859%0.59472%0.718SS**  trans-71.7104.8169.5166.90000106.6R67 T71R67-V69 HydrophobicContact CG-CG2 4.26Å; R67-V69 PolarHBondContact O-N 3.32Å; R67-V69 VanDerWaalsContact O-N 3.12Å; V69-T71 VanDerWaalsContact C-N 3.27Å; V69-T71 HydrophobicContact CG1-CG2 3.63Å; V69-T71 PolarHBondContact O-N 2.9Å; V69-T71 VanDerWaalsContact O-N 3.09Å
70W28Very low38.4Very low205 Ų205160.6 Ų160.678%0.77772%0.721SS**  trans-73.885.5161.8-97.776.2000108F68 F72F68-W70 PolarHBondContact O-N 3.16Å; F68-W70 VanDerWaalsContact O-N 3.16Å; W70-F72 VanDerWaalsContact C-N 3.28Å; W70-F72 HydrophobicContact CE3-CB 3.6Å; W70-F72 HydrophobicContact CE3-CG 4.47Å; W70-F72 HydrophobicContact CZ3-CB 3.73Å; W70-F72 HydrophobicContact CZ3-CD1 4.22Å; W70-F72 HydrophobicContact CZ3-CG 4.12Å
71T40Very low37.6Very low129 Ų129167.4 Ų167.479%0.79176%0.755SS**  trans-9764.7155.444.70000108.1V69V69-T71 VanDerWaalsContact C-N 3.27Å; V69-T71 HydrophobicContact CG1-CG2 3.63Å; V69-T71 PolarHBondContact O-N 2.9Å; V69-T71 VanDerWaalsContact O-N 3.09Å
72F35.4Very low37Very low145 Ų145171 Ų17164%0.63677%0.773SS**  trans-98.397.1156.7-174.6-97.9000105.5W70W70-F72 VanDerWaalsContact C-N 3.28Å; W70-F72 HydrophobicContact CE3-CB 3.6Å; W70-F72 HydrophobicContact CE3-CG 4.47Å; W70-F72 HydrophobicContact CZ3-CB 3.73Å; W70-F72 HydrophobicContact CZ3-CD1 4.22Å; W70-F72 HydrophobicContact CZ3-CG 4.12Å
73W33.8Very low36.7Very low217 Ų217164.8 Ų164.882%0.82276%0.764SS**  trans173.881.9150.8-91.9105.6000107.7
74R32.6Very low36.3Very low241 Ų241172 Ų17291%0.90979%0.788SS**  trans-164.495.7141-107.2-179.4-153-137.95.8108R76R74-R76 PolarHBondContact O-N 3.25Å
75T39.7Very low36.3Very low118 Ų118173.2 Ų173.272%0.72483%0.826SS**  trans-36.7117.1156.5450000110.9
76R45.1Very low36.4Very low220 Ų220170.2 Ų170.283%0.8382%0.823SS**  trans-68140.1144.8-85.2-174173.9-159.6-1.4106.9R74R74-R76 PolarHBondContact O-N 3.25Å
77P40.2Very low36.2Very low119 Ų119167 Ų16777%0.77382%0.82SS**  -130154.911114.45.5000112.8
78W31.2Very low36.3Very low219 Ų219163.6 Ų163.683%0.8382%0.818SS**  trans-55.1147.6174.8-75.248.3000113.6
79T38.4Very low36.6Very low131 Ų131162.5 Ų162.580%0.80482%0.819SS**  -169.6115.5125.225.40000111.6
80T40.5Very low36.7Very low119 Ų119166.5 Ų166.573%0.7383%0.833SS**  trans55.6112.2134.7-12.90000121.3
81I40.4Very low37.3Very low166 Ų166163.9 Ų163.985%0.85184%0.837SS**  trans-59.2123.2150.1-67.7163.9000108.9
82C35.2Very low37.1Very low117 Ų117166.4 Ų166.479%0.79184%0.84SS**  trans-158.794158.1-109.40000110.5
83S34.3Very low37.2Very low96 Ų96168.1 Ų168.167%0.67186%0.856SS**  36135.2126.2-135.20000122.1
84W34Very low37.5Very low245 Ų245164 Ų16493%0.92886%0.859SS**  trans85.4104.8159.4-59.787.9000120
85A38.8Very low38Very low177 Ų177157 Ų157100%1.46385%0.854SS**  -160.40119.600000109.1

Retrieved 85 of 85 residues in 61.7 ms (Link to these results)

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